2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenyl-acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide Traditional Name: N-benzyl-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenyl-acetamide Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5O3/c1-25-19-18(20(30)26(2)22(25)31)28(21(23)24-19)14-17(29)27(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3